
 CID 44283143

338343  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44283143

>  <PubChem CID>
44283143

>  <Formula>
C108H172N34O22S2

>  <Molecular Weight>
2362.900000

>  <IUPAC Name>


>  <XlogP>
-3.6

>  <Hydrogen Bond Donors>
32

>  <Hydrogen Bond Acceptors>
32

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CSSCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)CNC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C4CCCN4C(=O)C(CC(=O)N)NC(=O)C(C(C)CC)N)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)CNC(CC6=CC=C(C=C6)O)C(=O)N)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CC6=CC=C(C=C6)O)C(=O)N)N

>  <InChI Std. ID>
InChI=1S/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1

>  <InChI Key>
LUFYXHLIXORPDM-NQONCEBISA-N

